NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2872 8.1749 117.3750 63.2280 69.8345 173.1879 3 I 3.7955 8.3376 127.8055 60.6331 37.5349 173.8265 4 R 4.8950 8.2842 125.3147 55.4493 32.3455 175.5793 5 S 4.7641 9.2662 116.4113 57.7004 67.0153 172.9282 6 A 5.1640 8.3299 121.0029 50.4892 22.2252 175.1476 7 E 4.6536 9.2376 122.2666 54.7878 32.6076 174.3366 8 H 5.5200 8.9639 123.2938 54.6630 31.3351 173.8482 9 A 4.7614 8.7979 121.1744 51.3267 23.1590 175.1905 10 T 5.0612 8.5277 115.8940 61.7464 71.2212 173.6252 11 L 4.9222 9.2745 126.3658 52.9292 44.8091 175.6759 12 V 4.9630 8.4358 121.7877 61.2446 34.6626 174.4481 13 I 4.6898 9.2578 128.3032 59.4589 40.5129 173.8185 14 E 4.9782 8.9503 127.4693 54.4690 31.5612 175.0939 15 R 4.7517 8.4928 124.1867 54.7265 34.4315 174.4981 16 H 4.9432 8.9051 119.0794 54.3039 30.7890 173.2603 17 L 4.5140 9.0445 124.7294 52.7566 43.4544 177.8377 18 K 4.3301 8.2664 124.1043 54.0384 30.7826 175.9686 19 A 4.6162 7.1399 120.4210 49.0198 22.6661 175.4710 20 P 4.4972 0.0000 0.0000 62.5284 33.4763 177.5198 21 I 4.0241 8.6571 120.6582 63.8829 37.9466 178.1677 22 A 4.2979 7.9189 122.4196 54.5441 18.0179 179.4487 23 R 3.9458 7.9024 116.2564 59.3441 30.4534 178.2891 24 V 3.8615 7.9550 118.2158 66.1259 31.5022 177.8421 25 F 3.6414 8.4562 120.5144 61.1994 39.2011 177.2902 26 R 4.3292 8.5708 118.8445 58.5538 29.5894 178.7608 27 A 4.1329 7.7727 119.5855 54.2137 18.3478 178.8166 28 W 4.3539 8.0385 116.9139 58.5297 30.2214 178.3734 29 S 2.7900 7.3864 113.0421 58.1135 62.8522 173.5027 30 A 4.6616 7.3531 126.6100 50.1455 19.7207 176.0279 31 P 4.3380 0.0000 0.0000 65.5999 31.3427 178.6481 32 E 3.9002 8.1824 115.7795 59.3404 29.5066 179.0625 33 A 3.8224 7.7848 121.1716 54.6956 18.7005 179.2161 34 K 3.0500 7.9894 118.5330 59.3760 32.1113 178.8062 35 R 2.7759 7.6871 119.0931 58.9412 29.6436 178.2874 36 Q 3.8236 7.1221 118.6030 58.6551 29.2099 177.5641 37 W 4.5730 7.1449 115.0612 57.6411 28.9042 177.0150 38 F 3.9061 6.8858 120.4739 59.1770 39.2550 176.1224 39 A 3.6891 7.0786 120.8949 53.0753 19.7595 176.7243 40 C 4.4676 7.4275 114.0907 59.2787 26.7149 172.6387 41 H 4.5615 7.8910 122.0040 52.1968 27.3999 173.6982 42 G 3.8200 8.2690 108.3616 43.8426 0.0000 171.3879 43 E 3.9299 8.9285 119.1156 57.5080 29.6128 177.2538 44 W 4.5352 7.7716 118.9985 55.4953 29.5674 176.1799 45 Q 4.1763 8.4695 121.6415 55.0727 29.0837 175.7538 46 A 4.0482 8.3270 122.6708 52.6417 18.5938 177.8102 47 L 4.3328 8.5213 122.9600 56.3416 42.5726 176.9020 48 D 4.6544 7.6214 118.1779 53.2846 42.7282 172.3656 49 Y 5.1992 8.3491 124.2653 55.4517 42.2663 174.1284 50 G 4.0537 8.0165 111.7494 44.7327 0.0000 171.3273 51 L 5.0147 8.0982 123.3399 53.4821 45.6164 175.0317 52 D 4.6791 9.5409 126.3065 52.5126 42.9084 173.2397 53 F 4.2138 8.6146 127.3595 56.5027 38.9531 174.3083 54 R 4.1596 7.2837 119.3010 54.0354 31.5781 172.8942 55 P 4.3380 0.0000 0.0000 64.1520 31.6521 177.2856 56 G 3.8875 9.1111 111.3253 45.4219 0.0000 173.7558 57 G 4.0819 7.9604 109.6128 45.0180 0.0000 172.5157 58 T 5.1682 8.1621 113.6980 62.5301 73.7233 172.7761 59 E 5.1031 8.9201 122.5461 54.9460 33.7203 173.8755 60 R 5.1694 8.9371 125.1018 54.8719 34.3604 173.6356 61 N 5.3944 9.9095 124.7094 53.0441 41.9906 172.2148 62 Y 5.4180 9.0133 125.0755 56.3432 40.0661 175.8335 63 V 4.4970 8.7645 123.5059 60.9706 35.1175 173.8646 64 A 4.9023 8.6483 129.9162 50.8818 19.8516 177.0403 65 D 4.4387 8.9320 123.5587 52.3557 41.0197 177.1803 66 T 3.5975 8.2109 115.0336 66.7799 68.2065 174.9157 67 D 4.5378 8.1681 117.6802 54.0643 41.0853 177.1967 68 G 3.8917 8.4414 108.5769 44.9375 0.0000 173.5904 69 L 4.0723 8.1817 123.1551 54.1997 42.7701 175.3750 70 L 4.4880 8.4736 128.4694 55.4129 43.4712 174.9249 71 H 5.0687 9.7845 124.7078 54.3586 30.4266 173.8990 72 A 4.2791 8.6426 127.3156 50.2121 20.0966 174.8182 73 Y 5.0171 8.8743 124.0009 56.9456 41.1153 174.3546 74 D 5.2255 8.6367 124.8016 52.5316 45.3037 174.4224 75 A 5.0927 8.9354 124.1633 50.2329 23.2267 174.1712 76 H 5.1416 9.2013 119.5044 54.4163 32.9360 172.3864 77 Y 4.6463 8.6839 124.3938 58.3102 38.4955 175.9871 78 I 4.2698 9.0871 124.1990 62.3437 39.9162 175.9072 79 D 4.7923 7.9643 120.5180 52.6036 44.7212 174.2879 80 I 5.0585 8.3923 125.5207 59.9131 40.8527 174.6295 81 V 4.2630 8.9510 128.8102 60.1315 33.0514 173.4295 82 P 3.7555 0.0000 0.0000 64.3160 31.5955 176.2802 83 N 3.9085 5.7700 117.3585 53.5835 36.3470 175.0292 84 A 4.8414 7.0911 118.7545 53.3966 24.5662 177.0794 85 R 5.3156 8.5062 113.4458 55.5941 34.4289 174.1948 86 I 5.2826 9.1700 125.4678 59.7988 41.4825 174.2096 87 I 5.1432 9.3519 127.9617 59.6206 40.4872 174.2356 88 Y 5.3236 8.4325 123.6398 55.4434 41.8957 173.8651 89 A 5.1778 8.8242 123.1441 51.2298 21.3476 175.7168 90 Y 5.2454 8.8684 118.2442 55.9078 42.4189 173.4401 91 E 4.7787 8.6615 117.5303 53.9825 33.1617 174.3259 *93 K 4.3426 8.5497 116.3878 56.7511 34.5189 175.2128 94 L 4.7905 8.4903 123.8321 53.7517 43.6914 176.6731 95 G 3.8025 8.2788 115.5518 47.2667 0.0000 173.8730 96 E 4.3501 8.8631 124.2365 56.0362 29.8001 175.2494 97 T 4.3206 7.5631 117.7923 61.5669 69.1645 174.2567 98 R 4.1631 8.5460 128.1167 56.3788 30.6077 175.7289 99 I 4.3480 8.0896 118.3455 61.8049 39.4166 175.1587 100 S 4.9931 7.4825 115.0806 57.3367 66.0444 173.3716 101 A 4.7059 8.3253 121.6010 50.6304 22.6575 175.2851 102 S 4.7591 8.6811 114.8817 56.9729 68.2604 172.8557 103 L 4.8915 8.7908 124.7852 53.6939 44.2469 175.0713 104 T 4.7109 8.6924 123.3850 61.8611 71.3496 173.2921 105 T 4.7617 8.6071 122.8945 61.5711 71.4919 173.2289 106 V 4.4660 9.0278 126.5919 60.9627 33.7874 173.8736 107 A 5.2025 8.3487 130.0120 50.1215 21.0991 175.4552 108 F 5.2661 9.1865 120.3781 55.7747 42.6300 174.6498 109 E 4.8735 9.2011 119.1350 54.7063 33.1332 174.6205 110 A 4.5339 8.7784 126.2552 52.4894 19.2776 176.3830 111 E 4.7881 9.0804 119.1729 53.3935 33.0707 173.1628 112 P 4.3459 0.0000 0.0000 64.6194 31.6094 176.4752 113 G 4.2006 9.3530 111.6070 44.7543 0.0000 174.2807 114 G 4.2909 6.7641 109.7134 46.5463 0.0000 174.6215 115 T 5.0796 9.0702 122.4738 61.4475 72.3250 172.6298 116 K 4.6817 9.0370 127.7547 54.9905 35.3882 174.8958 *118 V 4.2329 7.9876 120.2111 62.6921 32.9437 173.5100 119 F 5.0644 9.4477 131.1848 56.9332 41.4197 174.1107 120 T 5.0573 8.4962 123.8376 61.6204 71.4197 172.8640 121 E 4.8618 9.2665 127.5432 54.4501 32.6804 174.3370 122 Q 5.0720 9.0289 127.3171 54.4202 30.5577 175.1333 123 V 4.8090 8.9672 124.4353 59.4947 35.3581 174.9406 124 V 4.6276 8.2194 121.5178 60.0008 34.1460 174.3098 125 F 5.1934 9.1044 124.4265 56.0368 41.2818 174.6921 126 L 5.0733 8.9755 122.7363 53.5068 44.4221 176.4655 127 D 4.1533 9.9804 122.4247 55.5708 38.8046 175.0598 128 G 3.9317 7.8219 105.8381 45.1596 0.0000 173.8125 129 Y 3.8720 7.7751 121.1143 57.7566 38.9957 175.5418 130 A 4.0896 7.5130 130.4725 50.3365 19.0950 176.1112 131 D 3.9230 7.9208 121.7932 57.9449 41.4200 178.0975 132 N 4.1552 8.7780 113.0572 54.2705 36.2439 175.2704 133 G 3.9218 8.1447 103.8273 45.9460 0.0000 176.1064 134 A 4.0361 8.0073 122.9933 54.8792 18.2956 180.1345 135 R 4.0092 8.7780 117.6372 59.6249 30.2800 178.5046 136 L 4.0818 8.0479 119.6785 58.2095 42.1699 178.5489 137 Q 4.0788 8.2655 119.6555 59.1870 28.9945 178.3241 138 G 3.7420 8.6806 107.1667 48.2633 0.0000 175.8102 139 T 3.9412 8.1855 118.0738 66.3137 68.4121 176.7451 140 E 3.9712 8.3845 120.5889 59.5817 29.5204 179.5548 141 I 3.9930 8.0551 119.9716 64.1276 37.1310 178.6160 142 G 3.9430 8.4142 106.8269 48.1750 0.0000 175.7861 143 L 3.9509 8.1531 121.5259 57.1339 41.5688 179.2168 144 D 4.3488 8.3082 119.2919 57.5658 40.6716 178.6198 145 N 4.4222 8.3192 116.9391 55.8505 38.4631 177.2257 146 L 3.0443 7.7203 121.9236 57.8391 42.0161 178.5639 147 E 3.8694 8.0925 119.1567 59.3941 29.5268 178.7566 148 L 3.9851 8.0541 118.9035 57.6747 41.2839 179.2336 149 F 4.0653 8.4827 120.7552 61.4404 39.1418 177.2571 150 L 3.9667 7.9852 117.2582 57.6713 41.4006 179.1386 151 E 4.0759 7.8840 118.0015 59.4842 29.5214 179.3512 152 R 3.9781 7.6923 116.8017 58.7096 30.1048 177.1914 153 E 4.0399 7.3251 121.9842 56.6403 29.6188 176.6075 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 T 8.17 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 3 I 8.34 3.80 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 0.92 0.00 0.00 4 R 8.28 4.89 0.00 1.69 1.85 0.00 3.40 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 5 S 9.27 4.76 0.00 3.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.33 5.16 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.24 4.65 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 8 H 8.96 5.52 0.00 3.04 3.20 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.80 4.76 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.53 5.06 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 11 L 9.27 4.92 0.00 1.68 1.68 1.13 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.44 4.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 13 I 9.26 4.69 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.67 0.98 0.00 0.00 14 E 8.95 4.98 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 15 R 8.49 4.75 0.00 1.67 1.76 0.00 3.38 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 16 H 8.91 4.94 0.00 3.03 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 9.04 4.51 0.00 1.62 1.61 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.27 4.33 0.00 1.75 1.79 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.38 7.81 19 A 7.14 4.62 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.50 0.00 2.30 2.21 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 21 I 8.66 4.02 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.84 0.91 0.00 0.00 22 A 7.92 4.30 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.90 3.95 0.00 1.86 2.13 0.00 3.41 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 24 V 7.95 3.86 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.08 0.00 0.00 25 F 8.46 3.64 0.00 2.93 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.57 4.33 0.00 2.17 2.03 0.00 3.24 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 27 A 7.77 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.04 4.35 0.00 2.88 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.39 2.79 0.00 3.63 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.35 4.66 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.34 0.00 2.22 2.23 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 32 E 8.18 3.90 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 33 A 7.78 3.82 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.99 3.05 0.00 1.72 1.59 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.02 7.81 35 R 7.69 2.78 0.00 1.31 1.77 0.00 3.14 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 0.00 36 Q 7.12 3.82 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 37 W 7.14 4.57 0.00 3.60 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 6.89 3.91 0.00 1.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.08 3.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.43 4.47 0.00 3.17 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.89 4.56 0.00 2.98 3.22 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.27 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.93 3.93 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.14 0.00 44 W 7.77 4.54 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.47 4.18 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 46 A 8.33 4.05 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.52 4.33 0.00 1.69 1.79 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.62 4.65 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.35 5.20 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.10 5.01 0.00 1.52 1.53 1.27 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 52 D 9.54 4.68 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.61 4.21 0.00 2.92 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.28 4.16 0.00 1.89 1.89 0.00 3.01 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 55 P 0.00 4.34 0.00 2.04 2.18 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 56 G 9.11 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.96 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.16 5.17 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 59 E 8.92 5.10 0.00 2.08 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 60 R 8.94 5.17 0.00 1.70 1.47 0.00 2.71 0.00 0.00 2.79 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.05 0.00 61 N 9.91 5.39 0.00 3.10 2.72 0.00 0.00 6.86 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.01 5.42 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.76 4.50 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.87 0.00 0.00 64 A 8.65 4.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.93 4.44 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.21 3.60 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 67 D 8.17 4.54 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.44 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.18 4.07 0.00 1.73 1.96 0.88 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.47 4.49 0.00 1.78 1.46 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 71 H 9.78 5.07 0.00 3.15 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.64 4.28 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.87 5.02 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.64 5.23 0.00 2.69 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.94 5.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.20 5.14 0.00 3.08 3.10 0.00 5.58 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.68 4.65 0.00 3.06 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 9.09 4.27 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 0.94 0.00 0.00 79 D 7.96 4.79 0.00 2.76 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.39 5.06 1.71 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.62 0.95 0.00 0.00 81 V 8.95 4.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.94 0.00 0.00 82 P 0.00 3.76 0.00 2.05 1.86 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 83 N 5.77 3.91 0.00 2.62 2.66 0.00 0.00 6.78 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.09 4.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.51 5.32 0.00 1.95 1.80 0.00 3.03 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 86 I 9.17 5.28 2.01 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.09 1.39 0.00 0.00 87 I 9.35 5.14 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 0.92 0.00 0.00 88 Y 8.43 5.32 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.82 5.18 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.87 5.25 0.00 2.89 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.66 4.78 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.08 0.00 *93 K 8.55 4.34 0.00 1.62 1.82 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.42 7.81 94 L 8.49 4.79 0.00 1.60 1.47 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.28 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.86 4.35 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 97 T 7.56 4.32 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 98 R 8.55 4.16 0.00 1.72 1.80 0.00 3.16 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 99 I 8.09 4.35 0.86 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.69 0.00 0.00 100 S 7.48 4.99 0.00 3.50 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.33 4.71 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.68 4.76 0.00 2.85 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.79 4.89 0.00 1.62 1.40 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.69 4.71 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 105 T 8.61 4.76 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 106 V 9.03 4.47 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.79 0.00 0.00 107 A 8.35 5.20 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.19 5.27 0.00 2.86 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.20 4.87 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 110 A 8.78 4.53 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.08 4.79 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 112 P 0.00 4.35 0.00 2.07 2.07 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 113 G 9.35 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 6.76 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 9.07 5.08 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 116 K 9.04 4.68 0.00 2.09 1.72 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.22 7.81 *118 V 7.99 4.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.90 0.00 0.00 119 F 9.45 5.06 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.50 5.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 121 E 9.27 4.86 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 122 Q 9.03 5.07 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.49 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 123 V 8.97 4.81 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.10 0.00 0.00 124 V 8.22 4.63 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.69 0.00 0.00 125 F 9.10 5.19 0.00 3.07 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.98 5.07 0.00 1.58 1.55 0.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 127 D 9.98 4.15 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.82 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Y 7.78 3.87 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.51 4.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 7.92 3.92 0.00 1.58 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.78 4.16 0.00 2.75 2.77 0.00 0.00 6.98 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.14 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.01 4.04 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.78 4.01 0.00 2.47 2.28 0.00 3.67 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 136 L 8.05 4.08 0.00 1.91 1.73 1.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.27 4.08 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 138 G 8.68 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.19 3.94 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 140 E 8.38 3.97 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 141 I 8.06 3.99 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.92 0.90 0.00 0.00 142 G 8.41 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.15 3.95 0.00 1.67 1.68 0.76 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.31 4.35 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 N 8.32 4.42 0.00 3.11 3.01 0.00 0.00 6.66 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.72 3.04 0.00 0.27 1.24 -0.10 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.09 3.87 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 148 L 8.05 3.99 0.00 1.94 1.73 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.48 4.07 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.99 3.97 0.00 1.80 1.73 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 151 E 7.88 4.08 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 152 R 7.69 3.98 0.00 1.57 1.89 0.00 3.29 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 153 E 7.33 4.04 0.00 1.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.